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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:05 UTC
Update Date2025-03-25 00:47:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164919
Frequency0.5
Structure
Chemical FormulaC8H12O3
Molecular Mass156.0786
SMILESCC=C(COC(C)=O)C(C)=O
InChI KeyKFTZZIOBABHOGJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • carboxylic acid esters
  • enones
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative
  • acryloyl-group
  • enone